3-methyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2-pyrimidin-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2-pyrimidin-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2-pyrimidin-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methyl-6-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-2-(2-pyrimidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-methyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-2-pyrimidin-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-methyl-6-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-2-(2-pyrimidyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H28N8O4S MolecularWeight: 524.59532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N(NC4=N3)C5=NC=CC=N5)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N(NC4=N3)C5=NC=CC=N5)C

InChI

InChI=1S/C24H28N8O4S/c1-4-14-36-19-7-6-17(37(34,35)31-12-10-30(3)11-13-31)15-18(19)21-27-22-20(23(33)28-21)16(2)32(29-22)24-25-8-5-9-26-24/h5-9,15H,4,10-14H2,1-3H3,(H,27,28,29,33)